Cas no 500293-76-5 (2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]-)
![2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]- structure](https://ossimg.kuujia.com/scimg/500500/500293-76-5x500.png)
500293-76-5 structure
Product Name:2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]-
CAS No:500293-76-5
MF:C22H18N4O3
MW:386.403324604034
CID:1544883
Update Time:2024-08-23
2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]-
- 2-Propenoic acid, 3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]-
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- Inchi： 1S/C22H18N4O3/c1-14-11-17(5-8-20(27)28)12-15(2)21(14)29-19-9-10-24-22(26-19)25-18-6-3-16(13-23)4-7-18/h3-12H,1-2H3,(H,27,28)(H,24,25,26)
- InChI Key： WFVCBLOQQLFYAS-UHFFFAOYSA-N
- SMILES： C(O)(=O)C=CC1=CC(C)=C(OC2C=CN=C(NC3=CC=C(C#N)C=C3)N=2)C(C)=C1
Computed Properties
- Exact Mass: 386.13804
Experimental Properties
- Density: 1.35±0.1 g/cm3(Predicted)
- Boiling Point: 624.2±65.0 °C(Predicted)
- PSA: 108.13
- pka: 4.40±0.10(Predicted)
2-Propenoic acid,3-[4-[[2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylphenyl]- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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